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nlesc-nano / nano-CAT

A collection of tools for the analysis of nanocrystals.
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BUG: Do not assume that `Atom.properties.charge_float` is set #122

Closed BvB93 closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #122 (a97d9cc) into master (69c0149) will decrease coverage by 5.65%. The diff coverage is 12.50%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #122      +/-   ##
==========================================
- Coverage   53.77%   48.11%   -5.66%     
==========================================
  Files          36       36              
  Lines        2890     2897       +7     
==========================================
- Hits         1554     1394     -160     
- Misses       1336     1503     +167
Impacted Files Coverage Δ
nanoCAT/asa/md_asa.py 19.65% <12.50%> (-0.35%) :arrow_down:
nanoCAT/bde/bde_workflow.py 14.70% <0.00%> (-69.86%) :arrow_down:
nanoCAT/bde/construct_xyn.py 16.49% <0.00%> (-63.92%) :arrow_down:
nanoCAT/bde/dissociate_xyn.py 86.08% <0.00%> (-1.74%) :arrow_down:

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